3-nitro-4-(1-oxidanylbutan-2-ylamino)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(1-oxidanylbutan-2-ylamino)benzenecarbonitrile Openeye Name: 4-[1-(hydroxymethyl)propylamino]-3-nitro-benzonitrile CAS Name: 4-(1-hydroxybutan-2-ylamino)-3-nitrobenzonitrile IUPAC Name: 4-(1-hydroxybutan-2-ylamino)-3-nitrobenzonitrile Traditional Name: 4-(1-methylolpropylamino)-3-nitro-benzonitrile Formula: C11H13N3O3 MolecularWeight: 235.23922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

Isomeric SMILES

CCC(CO)NC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O3/c1-2-9(7-15)13-10-4-3-8(6-12)5-11(10)14(16)17/h3-5,9,13,15H,2,7H2,1H3